N-[4-[[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[(4-benzyloxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[(4-benzoxyphenyl)thiocarbamoyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2S/c1-22(33)29-25-10-8-23(9-11-25)20-31-16-5-17-32(19-18-31)28(35)30-26-12-14-27(15-13-26)34-21-24-6-3-2-4-7-24/h2-4,6-15H,5,16-21H2,1H3,(H,29,33)(H,30,35)